N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide

C12H14F3NO — CID 110477170

IUPACN-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide
SMILESCC(C)(CNC=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-11(2,7-16-8-17)9-5-3-4-6-10(9)12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyMEAGJNTZVYEKMA-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.73
Rot. Bonds4

About N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide

N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide (PubChem CID 110477170) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide.

Molecular Properties

Compound NameN-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide
PubChem CID110477170
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide
SMILESCC(C)(CNC=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-11(2,7-16-8-17)9-5-3-4-6-10(9)12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyMEAGJNTZVYEKMA-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 54002630
N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine
CID 64715335
3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 81022627
N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide
CID 143764399
1-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)benzene
CID 64715364
1-(methylamino)-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 62773966
N-(2-fluoro-2,3,3-trimethylbutyl)formamide
CID 156718150
2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide
CID 68627712
N-ethyl-2-(2-fluorophenyl)-2-methylpropan-1-amine
CID 62596416
2,2-dimethyl-3-[2-(trifluoromethyl)anilino]propanoic acid
CID 79629024
1-amino-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 62773576
N-(2-tert-butylphenyl)formamide;ethane
CID 143497447

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide?
The IUPAC name of N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide (CID 110477170) is N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide.
What is the SMILES notation for N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide?
The canonical SMILES for N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide is CC(C)(CNC=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide?
The InChIKey is MEAGJNTZVYEKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-11(2,7-16-8-17)9-5-3-4-6-10(9)12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide?
N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide has a molecular weight of 245.24 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide is sourced from PubChem (CID 110477170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).